N-(3-azanylpropyl)-1-(2,4-dichlorophenyl)-2-[(2,4-dimethylquinolin-8-yl)oxymethyl]-3-sulfonyl-pyrrolidine-2-carboxamide dihydrochloride

Systemtic Name: N-(3-azanylpropyl)-1-(2,4-dichlorophenyl)-2-[(2,4-dimethylquinolin-8-yl)oxymethyl]-3-sulfonyl-pyrrolidine-2-carboxamide dihydrochloride Openeye Name: N-(3-aminopropyl)-1-(2,4-dichlorophenyl)-2-[(2,4-dimethyl-8-quinolyl)oxymethyl]-3-sulfonyl-pyrrolidine-2-carboxamide dihydrochloride CAS Name: N-(3-aminopropyl)-1-(2,4-dichlorophenyl)-2-[(2,4-dimethyl-8-quinolinyl)oxymethyl]-3-sulfonyl-2-pyrrolidinecarboxamide dihydrochloride IUPAC Name: N-(3-aminopropyl)-1-(2,4-dichlorophenyl)-2-[(2,4-dimethylquinolin-8-yl)oxymethyl]-3-sulfonylpyrrolidine-2-carboxamide dihydrochloride Traditional Name: N-(3-aminopropyl)-1-(2,4-dichlorophenyl)-2-[(2,4-dimethyl-8-quinolyl)oxymethyl]-3-sulfonyl-pyrrolidine-2-carboxamide dihydrochloride Formula: C26H30Cl4N4O4S MolecularWeight: 636.4178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3(C(=S(=O)=O)CCN3C4=C(C=C(C=C4)Cl)Cl)C(=O)NCCCN)C.Cl.Cl

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3(C(=S(=O)=O)CCN3C4=C(C=C(C=C4)Cl)Cl)C(=O)NCCCN)C.Cl.Cl

InChI

InChI=1S/C26H28Cl2N4O4S.2ClH/c1-16-13-17(2)31-24-19(16)5-3-6-22(24)36-15-26(25(33)30-11-4-10-29)23(37(34)35)9-12-32(26)21-8-7-18(27)14-20(21)28;;/h3,5-8,13-14H,4,9-12,15,29H2,1-2H3,(H,30,33);2*1H